UCSF

ZINC00068003

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Other Names:

MFCD00772888

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) 2.62 8.31 -32.65 1 4 1 37 255.297 3
Mid Mid (pH 6-8) 2.62 7.86 -14.35 0 4 0 36 254.289 3

Activity (Go SEA)

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