UCSF

ZINC34964774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 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) 4.24 8.37 -15.11 1 5 0 64 367.206 3
Hi High (pH 8-9.5) 4.24 7.95 -46.18 0 5 -1 62 366.198 3

Activity (Go SEA)

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