UCSF

ZINC37859373

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) -0.22 0.14 -12.04 1 6 0 79 292.382 3
Mid Mid (pH 6-8) 0.24 -1.99 -41.3 0 6 -1 83 291.374 3

Activity (Go SEA)

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