UCSF

ZINC13948471

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2008 23 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) 4.44 7.83 -12.79 1 5 0 72 330.409 4
Hi High (pH 8-9.5) 4.44 7.87 -49.81 0 5 -1 74 329.401 4

Activity (Go SEA)

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