UCSF

ZINC00662709

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 No

Other Names:

MFCD02371403

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) 5.04 -8.98 -12.56 2 6 0 92 546.262 6
Hi High (pH 8-9.5) 5.04 -7.89 -102.32 0 6 -2 96 544.246 6
Hi High (pH 8-9.5) 5.04 -8.44 -37.27 1 6 -1 94 545.254 6

Activity (Go SEA)

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