UCSF

ZINC44684062

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 2.58 7.76 -39.41 2 2 1 20 271.428 3
Hi High (pH 8-9.5) 2.58 9.77 -32.25 2 2 1 16 271.428 3
Lo Low (pH 4.5-6) 2.58 10.18 -112.87 3 2 2 21 272.436 3

Activity (Go SEA)

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