UCSF

ZINC37797569

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.16 4.43 -54.19 2 4 1 50 254.379 3
Mid Mid (pH 6-8) 0.16 3.21 -11.44 1 4 0 45 253.371 3

Activity (Go SEA)

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