UCSF

ZINC00287840

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Other Names:

MFCD01809319

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) 2.42 4.65 -38.69 4 5 1 82 305.408 2
Hi High (pH 8-9.5) 2.49 2.7 -48.96 2 5 -1 87 303.392 2
Mid Mid (pH 6-8) 2.42 4.25 -13.88 3 5 0 81 304.4 2

Activity (Go SEA)

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