UCSF

ZINC37988507

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 12 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) 1.82 4.57 -38.58 2 2 1 29 185.316 5
Hi High (pH 8-9.5) 1.82 3.21 -4.67 1 2 0 25 184.308 5

Activity (Go SEA)

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