UCSF

ZINC32022825

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) -0.04 3.4 -56.17 3 4 1 57 257.361 6
Mid Mid (pH 6-8) -0.04 3.84 -107.84 4 4 2 58 258.369 6

Activity (Go SEA)

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