UCSF

ZINC34977887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 2.04 5.03 -47.64 1 5 -1 60 236.276 3
Mid Mid (pH 6-8) 2.04 4.8 -21.56 2 5 0 61 237.284 3

Activity (Go SEA)

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