UCSF

ZINC37984566

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 3.53 6.74 -44.22 3 3 1 46 334.303 7
Hi High (pH 8-9.5) 3.53 5.49 -7.97 2 3 0 41 333.295 7

Activity (Go SEA)

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