UCSF

ZINC19805144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 20 Yes

Other Names:

MFCD04941351

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) 3.33 6.3 -47.93 0 4 -1 72 285.348 4
Mid Mid (pH 6-8) 3.33 6.23 -11.86 1 4 0 70 286.356 4

Activity (Go SEA)

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