UCSF

ZINC09019063

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 30 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) 3.88 9.41 -38.97 0 6 -1 79 473.343 8
Mid Mid (pH 6-8) 3.29 -0.64 -20.03 0 6 0 72 474.351 8

Activity (Go SEA)

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