UCSF

ZINC34222205

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 25 No

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) 4.20 4.89 -46.06 2 6 -1 97 415.248 2
Mid Mid (pH 6-8) 4.20 5.38 -19.53 3 6 0 95 416.256 2

Activity (Go SEA)

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