UCSF

ZINC34977892

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) 2.79 5.28 -45.97 1 4 -1 51 242.23 3
Mid Mid (pH 6-8) 2.79 5.13 -22.84 2 4 0 52 243.238 3

Activity (Go SEA)

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