UCSF

ZINC19370749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 26 Yes

Other Names:

MFCD01909536

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) 3.13 7.54 -40.03 1 5 1 35 357.474 7
Mid Mid (pH 6-8) 3.13 7.61 -39.13 1 5 1 35 357.474 7
Mid Mid (pH 6-8) 3.13 5.22 -7.2 0 5 0 34 356.466 7

Activity (Go SEA)

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