UCSF

ZINC37744899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 21 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) 0.76 1.53 -43.15 1 8 -1 108 305.343 4
Lo Low (pH 4.5-6) 0.76 1.52 -16.12 2 8 0 106 306.351 4

Activity (Go SEA)

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