UCSF

ZINC37565793

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 2.34 8.06 -35.12 2 2 1 16 243.374 3
Mid Mid (pH 6-8) 2.34 9.06 -113.25 3 2 2 21 244.382 3

Activity (Go SEA)

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