UCSF

ZINC00453334

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 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) 4.12 7.15 -5.51 2 2 0 39 252.77 3
Lo Low (pH 4.5-6) 4.12 7.57 -29.3 3 2 1 40 253.778 3

Activity (Go SEA)

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