UCSF

ZINC34070788

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 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) 2.43 4.7 -47.98 2 5 0 66 357.248 5
Hi High (pH 8-9.5) 2.43 2.4 -50.52 1 5 -1 65 356.24 5
Mid Mid (pH 6-8) 2.43 4.06 -39.97 3 5 1 63 358.256 5

Activity (Go SEA)

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