UCSF

ZINC08894100

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 35 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) 6.26 13.15 -38.7 0 6 -1 83 503.987 6
Mid Mid (pH 6-8) 5.67 -0.71 -15.41 0 6 0 76 504.995 6

Activity (Go SEA)

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