UCSF

ZINC12467817

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 36 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) 3.35 9.99 -19.95 3 10 0 128 491.548 10
Mid Mid (pH 6-8) 3.53 10.34 -49.12 4 10 1 132 492.556 10
Mid Mid (pH 6-8) 3.53 10.41 -20.35 3 10 0 131 491.548 10
Mid Mid (pH 6-8) 3.53 9.94 -45.49 2 10 -1 129 490.54 10

Activity (Go SEA)

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