UCSF

ZINC33726211

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 27 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) -1.62 -2.73 -28.15 4 11 0 146 381.389 3
Hi High (pH 8-9.5) -1.16 -3.83 -53.04 3 11 -1 149 380.381 3

Activity (Go SEA)

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