UCSF

ZINC36636406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 Yes

Other Names:

MFCD12968348

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) 3.58 6.93 -10.37 0 5 0 50 394.924 6
Mid Mid (pH 6-8) 3.58 9.15 -49.18 1 5 1 51 395.932 6

Activity (Go SEA)

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