UCSF

ZINC61217444

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2011 21 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) 1.16 6.21 -57.78 2 6 -1 99 290.343 6
Mid Mid (pH 6-8) 1.16 6.65 -54.69 3 6 0 101 291.351 6

Activity (Go SEA)

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