UCSF

ZINC21670832

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 1.95 5.35 -45.42 3 4 1 57 263.361 5
Hi High (pH 8-9.5) 1.95 2.98 -12.76 2 4 0 56 262.353 5

Activity (Go SEA)

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