UCSF

ZINC08231508

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2006 25 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) 4.14 9.88 -13.17 1 3 0 42 334.394 5
Mid Mid (pH 6-8) 4.21 8.42 -47.5 2 3 1 47 335.402 5

Activity (Go SEA)

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