UCSF

ZINC34934306

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 No

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) 4.62 9.4 -54.38 0 7 -1 82 512.026 10
Mid Mid (pH 6-8) 4.62 11.68 -64.26 1 7 0 83 513.034 10
Lo Low (pH 4.5-6) 4.62 10.93 -47.96 2 7 1 81 514.042 10

Activity (Go SEA)

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