UCSF

ZINC36794309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.73 2.21 -10.9 2 4 0 53 291.178 4
Mid Mid (pH 6-8) 1.73 2.87 -43.04 1 4 -1 55 290.17 4
Mid Mid (pH 6-8) 1.73 4.24 -34.75 2 4 0 60 291.178 4

Activity (Go SEA)

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