UCSF

ZINC42771234

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.00 3.29 -50.65 0 6 -1 74 265.215 7
Lo Low (pH 4.5-6) 1.00 5.02 -74.67 1 6 0 75 266.223 7

Activity (Go SEA)

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