UCSF

ZINC31992822

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 No

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) -0.63 1.49 -6.6 2 4 0 63 184.239 2
Mid Mid (pH 6-8) -0.63 1.81 -54.84 3 4 1 65 185.247 2

Activity (Go SEA)

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