UCSF

ZINC44685909

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.69 6.3 -33.99 2 4 1 35 275.372 4
Hi High (pH 8-9.5) 1.69 3.9 -4.81 1 4 0 34 274.364 4
Lo Low (pH 4.5-6) 1.69 5.11 -39.59 2 4 1 38 275.372 4

Activity (Go SEA)

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