UCSF

ZINC59604874

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 3.93 9.28 -32.86 3 2 1 30 299.413 4
Hi High (pH 8-9.5) 3.93 7.33 -2.4 2 2 0 29 298.405 4
Hi High (pH 8-9.5) 3.93 7.57 -39.93 3 2 1 31 299.413 4
Lo Low (pH 4.5-6) 3.93 9.49 -116.88 4 2 2 32 300.421 4

Activity (Go SEA)

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