UCSF

ZINC45651256

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) 0.53 1.52 -36.34 3 4 1 46 200.306 4
Hi High (pH 8-9.5) 0.53 -0.85 -7.95 2 4 0 44 199.298 4
Lo Low (pH 4.5-6) 0.53 0.33 -41.43 3 4 1 49 200.306 4

Activity (Go SEA)

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