UCSF

ZINC31905060

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) 1.10 5.03 -79.04 3 3 2 24 215.385 8
Mid Mid (pH 6-8) 1.10 7.37 -173.74 4 3 3 25 216.393 8

Activity (Go SEA)

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