UCSF

ZINC43284982

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 18 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) 1.93 5.21 -100.78 4 3 2 35 334.327 3
Hi High (pH 8-9.5) 1.93 5.11 -114.43 4 3 2 35 334.327 3
Hi High (pH 8-9.5) 1.93 3.26 -1.63 2 3 0 32 332.311 3
Hi High (pH 8-9.5) 1.93 4.88 -34.55 3 3 1 34 333.319 3
Hi High (pH 8-9.5) 1.93 3.57 -42.68 3 3 1 34 333.319 3

Activity (Go SEA)

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