UCSF

ZINC31892905

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 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) 1.95 3.36 -11.3 3 5 0 69 251.311 4
Mid Mid (pH 6-8) 1.95 3.17 -54.31 4 5 1 71 252.319 4

Activity (Go SEA)

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