UCSF

ZINC32105900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 2.55 8.38 -99.56 3 3 2 30 252.402 8
Mid Mid (pH 6-8) 2.55 5.85 -36.22 2 3 1 29 251.394 8

Activity (Go SEA)

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