UCSF

ZINC37997964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.43 2.29 -50.58 3 5 1 65 333.202 5
Hi High (pH 8-9.5) 1.43 3.21 -64.93 2 5 0 67 332.194 5
Hi High (pH 8-9.5) 1.43 0.87 -8.42 2 5 0 60 332.194 5

Activity (Go SEA)

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