UCSF

ZINC00291982

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 5.18 9.61 -6.99 1 2 0 28 274.367 1
Mid Mid (pH 6-8) 4.81 9.71 -26.15 1 2 1 26 275.375 1
Lo Low (pH 4.5-6) 5.18 9.95 -29.38 2 2 1 30 275.375 1
Lo Low (pH 4.5-6) 4.81 9.67 -88.75 2 2 2 28 276.383 1
Lo Low (pH 4.5-6) 4.81 9.61 -88.36 2 2 2 28 276.383 1

Activity (Go SEA)

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