UCSF

ZINC03939421

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 18 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) 2.32 1.05 -10.18 0 3 0 38 233.274 2
Lo Low (pH 4.5-6) 2.32 1.16 -46.82 1 3 1 39 234.282 2

Activity (Go SEA)

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