UCSF

ZINC37215262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 2.57 6.35 -32.24 2 3 1 26 253.41 5
Mid Mid (pH 6-8) 2.57 5.25 -35.45 2 3 1 29 253.41 5
Lo Low (pH 4.5-6) 2.57 7.51 -100.34 3 3 2 30 254.418 5

Activity (Go SEA)

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