UCSF

ZINC06296665

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 35 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) 2.65 8.44 -21.07 2 8 0 109 491.569 8
Mid Mid (pH 6-8) 3.95 8.27 -53.47 1 8 -1 112 490.561 8
Mid Mid (pH 6-8) 4.01 4.75 -46.46 1 8 -1 115 490.561 8

Activity (Go SEA)

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