UCSF

ZINC37805711

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.60 -0.25 -58.1 4 6 1 94 304.436 3
Mid Mid (pH 6-8) 0.60 -0.52 -14.22 3 6 0 93 303.428 3

Activity (Go SEA)

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