UCSF

ZINC44472288

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 14 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) 1.21 3.53 -28.88 2 3 1 29 201.334 6
Hi High (pH 8-9.5) 1.21 1.89 -2.84 1 3 0 24 200.326 6
Lo Low (pH 4.5-6) 1.21 5.44 -102.85 3 3 2 30 202.342 6

Activity (Go SEA)

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