UCSF

ZINC19537102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 21 Yes

Other Names:

MFCD02622034

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) 3.17 9.59 -40.95 1 2 1 8 285.386 4
Mid Mid (pH 6-8) 3.17 9.59 -38.35 1 2 1 8 285.386 4
Mid Mid (pH 6-8) 3.17 7.27 -4.23 0 2 0 6 284.378 4

Activity (Go SEA)

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