UCSF

ZINC37052604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.58 0.62 -48.07 2 5 -1 87 266.277 3
Mid Mid (pH 6-8) 0.58 0.61 -10.8 3 5 0 85 267.285 3

Activity (Go SEA)

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