UCSF

ZINC60275356

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 23 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) 3.31 8.14 -232.95 7 4 3 64 331.613 16
Mid Mid (pH 6-8) 3.31 7.79 -109.69 6 4 2 62 330.605 16
Lo Low (pH 4.5-6) 3.31 9.29 -383.72 8 4 4 65 332.621 16

Activity (Go SEA)

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