UCSF

ZINC09546306

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 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) 4.82 7.4 -14.23 2 7 0 94 454.548 8
Hi High (pH 8-9.5) 4.82 7.5 -44.16 1 7 -1 96 453.54 8

Activity (Go SEA)

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