UCSF

ZINC36805037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 2.13 5.97 -8.9 1 4 0 51 242.278 5
Lo Low (pH 4.5-6) 2.13 6.44 -42.85 2 4 1 52 243.286 5

Activity (Go SEA)

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