UCSF

ZINC37042441

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.59 5 -101.1 5 4 2 61 267.417 3
Mid Mid (pH 6-8) 1.59 5.12 -37.72 4 4 1 60 266.409 3

Activity (Go SEA)

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