UCSF

ZINC00934674

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 30 Yes

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) 6.13 10.97 -15.29 2 6 0 92 442.61 10
Hi High (pH 8-9.5) 7.04 7.15 -102.03 0 6 -2 98 440.594 10

Activity (Go SEA)

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