UCSF

ZINC09409234

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 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) 3.93 4.65 -15.79 3 7 0 99 458.312 5
Hi High (pH 8-9.5) 3.73 3.96 -48.63 1 7 -1 98 457.304 5
Mid Mid (pH 6-8) 3.93 5.42 -54.27 2 7 -1 102 457.304 5

Activity (Go SEA)

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