UCSF

ZINC37859779

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 19 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) 0.35 3.29 -107.03 5 4 2 61 266.385 7
Mid Mid (pH 6-8) 0.35 3.79 -42.99 4 4 1 64 265.377 7

Activity (Go SEA)

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