UCSF

ZINC33820273

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 9 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) 1.74 5.82 -43.61 0 2 -1 40 127.163 4
Lo Low (pH 4.5-6) 1.74 3.84 -5.58 1 2 0 37 128.171 4

Activity (Go SEA)

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