UCSF

ZINC13538463

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 No

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) -2.23 1.65 -340.57 2 14 -4 224 407.172 6
Mid Mid (pH 6-8) -2.23 0.49 -214.08 3 14 -3 221 408.18 6
Mid Mid (pH 6-8) -2.23 0.5 -215.58 3 14 -3 221 408.18 6
Lo Low (pH 4.5-6) -2.23 -0.65 -105.89 4 14 -2 218 409.188 6

Activity (Go SEA)

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