UCSF

ZINC69244841

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 22 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) 1.97 6.02 -14.58 1 5 0 62 315.398 4
Mid Mid (pH 6-8) 1.97 8.36 -54.71 2 5 1 63 316.406 4

Activity (Go SEA)

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