UCSF

ZINC37859132

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 13 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) 0.14 -0.88 -10.69 1 5 0 70 222.291 2
Mid Mid (pH 6-8) 0.60 -3.01 -41.05 0 5 -1 73 221.283 2

Activity (Go SEA)

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