UCSF

ZINC34459915

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 19 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) 1.38 5.29 -43.93 2 4 1 46 267.324 5
Mid Mid (pH 6-8) 1.38 3.93 -5.51 1 4 0 42 266.316 5

Activity (Go SEA)

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