UCSF

ZINC36883912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 0.27 3.3 -95.11 4 3 2 35 199.342 4
Mid Mid (pH 6-8) 0.27 2.92 -119.62 4 3 2 35 199.342 4
Mid Mid (pH 6-8) 0.27 1.04 -41.67 3 3 1 34 198.334 4

Activity (Go SEA)

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