UCSF

ZINC34960707

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 1.11 4.37 -36.53 1 3 1 21 246.787 3
Mid Mid (pH 6-8) 1.11 2.01 -5.18 0 3 0 19 245.779 3
Mid Mid (pH 6-8) 1.11 4.28 -35.95 1 3 1 21 246.787 3

Activity (Go SEA)

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