UCSF

ZINC60477000

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 19 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) 2.53 8.1 -52.26 1 4 1 44 262.329 5
Hi High (pH 8-9.5) 2.53 6.27 -10.28 0 4 0 43 261.321 5

Activity (Go SEA)

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