UCSF

ZINC00193643

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Other Names:

MFCD03039440

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) 3.12 5.5 -12.24 1 4 0 59 304.415 5
Lo Low (pH 4.5-6) 3.12 5.42 -37.09 1 4 0 62 304.415 5

Activity (Go SEA)

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