UCSF

ZINC36743491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.30 0.81 -43.97 2 5 -1 87 284.267 3
Lo Low (pH 4.5-6) 1.30 1.26 -47.71 3 5 0 88 285.275 3
Lo Low (pH 4.5-6) 1.30 0.63 -9 3 5 0 85 285.275 3

Activity (Go SEA)

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