UCSF

ZINC45694965

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 1.53 8.8 -64.08 2 5 0 74 284.4 8
Lo Low (pH 4.5-6) 1.53 6.42 -47.16 3 5 1 71 285.408 8

Activity (Go SEA)

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