UCSF

ZINC46512081

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.76 6.48 -36.72 2 3 1 34 253.391 7
Mid Mid (pH 6-8) 1.76 4.41 -6.89 1 3 0 32 252.383 7

Activity (Go SEA)

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