UCSF

ZINC07767095

Substance Information

In ZINC since Heavy atoms Benign functionality
June 16th, 2006 31 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) 5.10 14.97 -57.22 1 5 0 71 412.489 4
Hi High (pH 8-9.5) 5.10 12.69 -60.26 0 5 -1 69 411.481 4
Mid Mid (pH 6-8) 5.10 15.29 -72.18 2 5 1 72 413.497 4

Activity (Go SEA)

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