UCSF

ZINC32497818

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 26 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) 1.26 3.45 -22.09 3 7 0 110 373.434 5
Mid Mid (pH 6-8) 1.26 3.52 -52.51 2 7 -1 112 372.426 5

Activity (Go SEA)

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