UCSF

ZINC53131038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 2.25 6.84 -45.19 2 2 1 29 213.304 4
Hi High (pH 8-9.5) 2.25 5.83 -4.16 1 2 0 25 212.296 4
Lo Low (pH 4.5-6) 2.25 7.3 -98.72 3 2 2 31 214.312 4

Activity (Go SEA)

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