UCSF

ZINC09514153

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 26 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) 4.17 10.73 -11.28 2 5 0 71 366.49 7
Hi High (pH 8-9.5) 4.17 10.53 -46.57 1 5 -1 69 365.482 7

Activity (Go SEA)

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