UCSF

ZINC47033051

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2010 21 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) 2.00 6.83 -47.57 1 5 1 66 308.427 4
Mid Mid (pH 6-8) 2.00 4.89 -10.59 0 5 0 64 307.419 4

Activity (Go SEA)

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