UCSF

ZINC36133232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 0.13 -0.17 -52.87 4 8 -1 145 308.295 5
Mid Mid (pH 6-8) 0.13 -0.19 -114.8 3 8 -2 147 307.287 5

Activity (Go SEA)

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