UCSF

ZINC00337902

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Other Names:

MFCD05863495

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) 2.68 3.99 -5.2 0 3 0 60 199.257 1
Lo Low (pH 4.5-6) 2.68 4.07 -42.34 1 3 1 62 200.265 1

Activity (Go SEA)

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