UCSF

ZINC44830633

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 No

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) 0.47 4.58 -8.3 2 5 0 62 298.437 4
Lo Low (pH 4.5-6) 0.47 5.03 -32.42 3 5 1 64 299.445 4

Activity (Go SEA)

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