UCSF

ZINC44684544

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.01 0.77 -40.21 4 4 1 60 263.361 4
Lo Low (pH 4.5-6) 2.01 3.06 -109.87 5 4 2 61 264.369 4
Lo Low (pH 4.5-6) 2.01 2.17 -35.07 4 4 1 57 263.361 4

Activity (Go SEA)

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