UCSF

ZINC61642281

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 21 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) 1.13 5.05 -89.57 4 5 2 47 294.443 6
Hi High (pH 8-9.5) 1.13 0.3 -4.04 2 5 0 45 292.427 6
Mid Mid (pH 6-8) 1.13 2.78 -36.66 3 5 1 46 293.435 6

Activity (Go SEA)

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