UCSF

ZINC09243238

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 27 No

Other Names:

MFCD04025360

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) 1.52 4.03 -65.71 1 7 -1 103 390.799 8
Mid Mid (pH 6-8) 1.97 -2.12 -29.54 2 7 0 100 391.807 7
Mid Mid (pH 6-8) 0.94 -2.11 -18.31 1 7 0 97 391.807 8

Activity (Go SEA)

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