UCSF

ZINC01664668

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 28 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) 2.89 -8.26 -21.08 2 8 0 110 428.532 11
Hi High (pH 8-9.5) 2.89 -7.11 -85.31 0 8 -2 114 426.516 11
Hi High (pH 8-9.5) 2.89 -7.68 -49.15 1 8 -1 112 427.524 11

Activity (Go SEA)

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