UCSF

ZINC37859268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) -0.25 -2.19 -15.79 2 7 0 99 279.343 4
Mid Mid (pH 6-8) 0.20 -4.34 -52.9 1 7 -1 102 278.335 4

Activity (Go SEA)

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