UCSF

ZINC31899630

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 2.01 10.68 -61.1 2 8 1 94 447.61 6
Mid Mid (pH 6-8) 2.01 8.24 -27.56 1 8 0 93 446.602 6

Activity (Go SEA)

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