UCSF

ZINC45651341

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 0.54 0.64 -35.1 4 4 1 60 200.306 4
Hi High (pH 8-9.5) 0.54 -1.69 -7.06 3 4 0 58 199.298 4
Lo Low (pH 4.5-6) 0.54 -0.64 -37.86 4 4 1 63 200.306 4

Activity (Go SEA)

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