UCSF

ZINC13569458

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 3.85 8.37 -9.01 2 4 0 58 359.763 2
Mid Mid (pH 6-8) 4.03 7.38 -46.14 1 4 -1 59 358.755 2
Mid Mid (pH 6-8) 3.85 8.36 -9.55 2 4 0 58 359.763 2
Mid Mid (pH 6-8) 4.04 5.72 -10 2 4 0 61 359.763 2

Activity (Go SEA)

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