UCSF

ZINC33013618

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 32 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) 2.66 9.76 -14.9 0 8 0 73 453.568 7
Mid Mid (pH 6-8) 2.66 12.15 -51.93 1 8 1 74 454.576 7

Activity (Go SEA)

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