UCSF

ZINC36969511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) -0.10 0.04 -113.18 2 9 -2 154 309.259 4
Mid Mid (pH 6-8) 0.36 -2.47 -86.85 2 9 -2 155 309.259 4
Mid Mid (pH 6-8) -0.10 -0.55 -60.52 3 9 -1 152 310.267 4

Activity (Go SEA)

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