UCSF

ZINC34940058

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 2.48 7.28 -122.82 4 3 2 35 283.847 4
Hi High (pH 8-9.5) 2.48 5.88 -2.64 2 3 0 32 281.831 4
Mid Mid (pH 6-8) 2.48 5.98 -36.47 3 3 1 34 282.839 4
Mid Mid (pH 6-8) 2.48 6.79 -29.28 3 3 1 34 282.839 4

Activity (Go SEA)

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