UCSF

ZINC00192132

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 2.03 -2.83 -6.75 1 7 0 75 319.409 4
Mid Mid (pH 6-8) -2.01 -2.58 -33.95 2 7 1 78 320.417 3

Activity (Go SEA)

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