UCSF

ZINC37796898

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.04 3.18 -84.87 4 5 0 97 250.298 6
Hi High (pH 8-9.5) -0.04 2.8 -60.14 3 5 -1 95 249.29 6
Lo Low (pH 4.5-6) -0.04 1.76 -57.32 5 5 1 94 251.306 6

Activity (Go SEA)

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