UCSF

ZINC31965515

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 2.26 7 -57.89 1 6 -1 87 308.317 4
Lo Low (pH 4.5-6) 2.26 7.4 -71.16 2 6 0 88 309.325 4

Activity (Go SEA)

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