UCSF

ZINC23360602

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 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) 1.14 2.25 -36.65 2 4 1 37 257.398 4
Lo Low (pH 4.5-6) 1.14 4.49 -106.52 3 4 2 38 258.406 4

Activity (Go SEA)

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