UCSF

ZINC44812609

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 11 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) 0.61 2.74 -8.24 1 3 0 53 150.181 3
Hi High (pH 8-9.5) 0.80 0.64 -39.79 0 3 -1 59 149.173 3

Activity (Go SEA)

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