UCSF

ZINC13483142

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 16 Yes

Other Names:

MFCD08898619

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) 2.16 4.31 -12.76 3 4 0 68 219.288 2
Mid Mid (pH 6-8) 2.16 4.07 -27.35 4 4 1 69 220.296 2

Activity (Go SEA)

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