UCSF

ZINC39916633

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 22 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) 2.89 5.04 -47.79 0 6 -1 83 340.45 7
Mid Mid (pH 6-8) 3.44 9.64 -19.86 1 6 0 68 416.905 6
Lo Low (pH 4.5-6) 2.89 4.88 -12.34 1 6 0 81 341.458 7

Activity (Go SEA)

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