UCSF

ZINC00904306

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 22 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) 3.83 9.83 -7.52 1 4 0 42 357.255 3
Lo Low (pH 4.5-6) 3.83 10.3 -36.81 2 4 1 43 358.263 3

Activity (Go SEA)

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