UCSF

ZINC37106274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 3.95 10.69 -45.55 2 3 1 34 278.464 7
Mid Mid (pH 6-8) 3.95 11.41 -102.1 3 3 2 36 279.472 7

Activity (Go SEA)

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