UCSF

ZINC44649316

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 13 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) 1.28 2.98 -47.7 3 4 1 59 265.156 4
Hi High (pH 8-9.5) 1.10 0.34 -37.31 1 4 -1 60 263.14 4
Hi High (pH 8-9.5) 1.28 1.63 -11.17 2 4 0 54 264.148 4

Activity (Go SEA)

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