UCSF

ZINC00928594

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 19 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) 1.58 5.6 -12.65 1 5 0 59 252.277 2
Mid Mid (pH 6-8) 1.58 6.01 -34.5 2 5 1 61 253.285 2
Lo Low (pH 4.5-6) 1.58 6.3 -79.89 3 5 2 62 254.293 2
Lo Low (pH 4.5-6) 1.58 5.89 -43.32 2 5 1 61 253.285 2

Activity (Go SEA)

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