UCSF

ZINC32266849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 4.47 7.32 -36.38 0 2 -1 36 262.21 1
Mid Mid (pH 6-8) 3.17 7.62 -10.84 1 2 0 33 263.218 1

Activity (Go SEA)

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