UCSF

ZINC36883877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 Yes

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) -0.10 2.58 -95.06 4 3 2 35 185.315 3
Mid Mid (pH 6-8) -0.10 0.2 -42.42 3 3 1 34 184.307 3

Activity (Go SEA)

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