UCSF

ZINC44880592

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 1.20 4.8 -43.87 2 4 1 40 266.34 4
Hi High (pH 8-9.5) 1.20 3.44 -8.7 1 4 0 36 265.332 4

Activity (Go SEA)

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