UCSF

ZINC44677606

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) 2.08 3.1 -58.56 4 4 1 74 309.436 5
Hi High (pH 8-9.5) 2.08 2.7 -10.69 3 4 0 72 308.428 5

Activity (Go SEA)

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