UCSF

ZINC44685265

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) 3.21 8.3 -32.12 2 2 1 16 245.39 5
Hi High (pH 8-9.5) 3.21 5.97 -2.05 1 2 0 15 244.382 5
Hi High (pH 8-9.5) 3.21 7.17 -41.56 2 2 1 20 245.39 5
Lo Low (pH 4.5-6) 3.21 9.51 -112.35 3 2 2 21 246.398 5

Activity (Go SEA)

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