UCSF

ZINC37859251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 2.61 2.33 -12.16 2 5 0 79 377.285 4
Mid Mid (pH 6-8) 3.07 0.13 -43.97 1 5 -1 82 376.277 4

Activity (Go SEA)

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