UCSF

ZINC34603410

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 0.79 9.29 -100.88 3 7 0 102 401.438 3
Mid Mid (pH 6-8) 0.79 7.26 -57.92 4 7 1 99 402.446 3
Lo Low (pH 4.5-6) -1.95 7.36 -82.65 4 7 1 105 402.446 2

Activity (Go SEA)

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