UCSF

ZINC35777134

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 13 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) 0.37 2.61 -46.75 0 4 -1 53 186.231 3
Mid Mid (pH 6-8) 0.37 4.2 -39.76 1 4 0 54 187.239 3

Activity (Go SEA)

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