UCSF

ZINC19716484

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 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) 3.00 9.53 -53.59 2 6 1 64 380.516 6
Hi High (pH 8-9.5) 3.00 7.17 -12.24 1 6 0 63 379.508 6

Activity (Go SEA)

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