UCSF

ZINC37040993

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 No

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) 0.77 1.17 -49.15 5 6 1 87 281.361 3
Mid Mid (pH 6-8) 0.77 -0.05 -16 4 6 0 82 280.353 3

Activity (Go SEA)

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