UCSF

ZINC37108245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.14 3.75 -121.22 4 3 2 35 241.423 4
Hi High (pH 8-9.5) 1.14 4.07 -33.24 3 3 1 34 240.415 4
Mid Mid (pH 6-8) 1.14 3.75 -98.96 4 3 2 35 241.423 4
Lo Low (pH 4.5-6) 1.14 6.11 -208.34 5 3 3 37 242.431 4

Activity (Go SEA)

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