UCSF

ZINC09050325

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 23 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) 1.57 5.21 -10.95 2 7 0 93 332.385 7
Mid Mid (pH 6-8) 1.57 5.19 -15.85 2 7 0 93 332.385 7

Activity (Go SEA)

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