UCSF

ZINC08739167

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 23 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) 3.48 8.71 -15.97 2 5 0 71 306.369 5
Hi High (pH 8-9.5) 3.94 8.61 -42.61 1 5 -1 74 305.361 5

Activity (Go SEA)

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