UCSF

ZINC00273452

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 26 No

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) 2.12 -1.71 -16.17 2 5 0 77 349.386 6
Mid Mid (pH 6-8) 2.12 -1.99 -30.89 2 5 0 77 349.386 5
Mid Mid (pH 6-8) 1.53 -1.92 -25.99 1 5 0 74 349.386 6

Activity (Go SEA)

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