UCSF

ZINC36988868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 1.28 5.46 -30.18 2 4 1 42 229.307 4
Lo Low (pH 4.5-6) 1.28 5.98 -75.98 3 4 2 44 230.315 4

Activity (Go SEA)

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