UCSF

ZINC32731206

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 15 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) 0.16 0.02 -13.57 2 5 0 67 206.201 1
Mid Mid (pH 6-8) 0.41 -5.59 -8.71 2 5 0 74 206.201 1

Activity (Go SEA)

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