UCSF

ZINC44648125

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 2.58 6.02 -46.64 3 5 1 72 330.202 7
Hi High (pH 8-9.5) 2.58 4.66 -8.04 2 5 0 67 329.194 7

Activity (Go SEA)

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