UCSF

ZINC38810660

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 34 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) 6.78 7.88 -20.12 4 8 0 123 492.322 4
Hi High (pH 8-9.5) 6.78 8.89 -59.97 3 8 -1 126 491.314 4

Activity (Go SEA)

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