UCSF

ZINC20533472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 27 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.91 6.64 -27.1 1 6 0 74 365.433 4
Hi High (pH 8-9.5) 1.91 4.31 -41.23 0 6 -1 73 364.425 4
Mid Mid (pH 6-8) 1.91 5.89 -43.27 2 6 1 71 366.441 4
Mid Mid (pH 6-8) 1.91 6.69 -51.06 1 6 0 74 365.433 4
Mid Mid (pH 6-8) 1.91 3.62 -8.46 1 6 0 70 365.433 4
Lo Low (pH 4.5-6) 1.91 5.84 -44.3 2 6 1 71 366.441 4
Lo Low (pH 4.5-6) 1.91 6.3 -98.35 3 6 2 72 367.449 4
Lo Low (pH 4.5-6) 1.91 6.36 -98.75 3 6 2 72 367.449 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )