UCSF

ZINC00184433

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 Yes

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) 1.92 2.06 -12.95 3 6 0 86 334.685 3
Mid Mid (pH 6-8) 2.09 2.59 -35.55 4 6 1 91 335.693 3

Activity (Go SEA)

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