UCSF

ZINC37821683

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 3.25 6.02 -36.01 2 4 1 40 294.463 3
Mid Mid (pH 6-8) 3.25 7.93 -96.18 3 4 2 41 295.471 3

Activity (Go SEA)

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