UCSF

ZINC43262561

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.80 1.77 -48.96 5 4 1 74 361.329 4
Hi High (pH 8-9.5) 1.80 2.99 -33.03 5 4 1 74 361.329 4
Hi High (pH 8-9.5) 1.80 1.46 -8.09 4 4 0 72 360.321 4
Lo Low (pH 4.5-6) 1.80 3.27 -108.13 6 4 2 75 362.337 4

Activity (Go SEA)

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