UCSF

ZINC42775618

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.90 9.02 -38.84 1 3 1 25 299.385 8
Hi High (pH 8-9.5) 2.90 6.36 -9.12 0 3 0 24 298.377 8
Hi High (pH 8-9.5) 2.90 8.17 -45.25 1 3 1 25 299.385 8
Lo Low (pH 4.5-6) 2.90 10.51 -127.8 2 3 2 26 300.393 8

Activity (Go SEA)

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