UCSF

ZINC37196140

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) 1.65 5.32 -27.41 2 4 1 40 266.39 6
Mid Mid (pH 6-8) 1.65 4.69 -9.27 1 4 0 39 265.382 6
Lo Low (pH 4.5-6) 1.65 6.51 -93.24 3 4 2 45 267.398 6

Activity (Go SEA)

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