UCSF

ZINC45393847

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 22 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) 2.87 7.45 -42.11 1 4 1 26 305.442 5
Hi High (pH 8-9.5) 2.87 5.2 -6.4 0 4 0 25 304.434 5
Mid Mid (pH 6-8) 2.87 9.61 -124.37 2 4 2 27 306.45 5

Activity (Go SEA)

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