UCSF

ZINC32918608

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 22 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) 2.87 9.57 -54.17 1 7 1 80 308.358 6
Mid Mid (pH 6-8) 2.87 7.19 -10.57 0 7 0 79 307.35 6

Activity (Go SEA)

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