UCSF

ZINC44677412

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 2.60 7.22 -36.98 2 2 1 20 245.39 4
Hi High (pH 8-9.5) 2.60 8.25 -34.56 2 2 1 16 245.39 4
Lo Low (pH 4.5-6) 2.60 9.43 -104 3 2 2 21 246.398 4

Activity (Go SEA)

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