UCSF

ZINC44722940

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 21 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) 1.82 4.86 -38.78 3 5 1 55 290.387 6
Mid Mid (pH 6-8) 1.82 3.62 -46.51 3 5 1 58 290.387 6
Lo Low (pH 4.5-6) 1.82 6.03 -116.76 4 5 2 59 291.395 6

Activity (Go SEA)

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