UCSF

ZINC00199629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 24 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) 2.61 7.25 -15.34 0 6 0 69 336.376 3
Lo Low (pH 4.5-6) 2.61 7.53 -58.26 1 6 1 71 337.384 3

Activity (Go SEA)

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