UCSF

ZINC09087512

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 25 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) 3.02 8.5 -17.5 0 7 0 74 335.367 4
Mid Mid (pH 6-8) 3.03 9.06 -30.35 2 7 1 79 336.375 4
Mid Mid (pH 6-8) 3.02 8.82 -41.44 1 7 1 76 336.375 4

Activity (Go SEA)

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