UCSF

ZINC05602364

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 26 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) 3.07 -4.61 -18.11 2 6 0 84 374.462 7
Hi High (pH 8-9.5) 3.07 -4.05 -51.35 1 6 -1 86 373.454 7

Activity (Go SEA)

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