UCSF

ZINC00798988

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 30 No

Other Names:

MFCD03717010

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) 2.46 8.53 -60.31 0 8 -1 113 406.37 7
Mid Mid (pH 6-8) 1.88 2.5 -21.28 0 8 0 107 407.378 7

Activity (Go SEA)

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