UCSF

ZINC36780511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.31 3.12 -49.72 2 6 -1 98 253.278 5
Lo Low (pH 4.5-6) 0.31 0.97 -10.94 3 6 0 95 254.286 5

Activity (Go SEA)

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