UCSF

ZINC21800031

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 Yes

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) 2.78 8.12 -24.94 1 6 0 59 364.449 5
Mid Mid (pH 6-8) 2.78 10.31 -57.89 2 6 1 61 365.457 5
Mid Mid (pH 6-8) 2.78 8.53 -35.61 2 6 1 61 365.457 5
Lo Low (pH 4.5-6) 2.78 10.72 -109.32 3 6 2 62 366.465 5

Activity (Go SEA)

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