UCSF

ZINC37823789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.29 2.97 -42.71 4 4 1 68 251.35 5
Hi High (pH 8-9.5) 2.29 2.72 -7.5 3 4 0 67 250.342 5

Activity (Go SEA)

Rings

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