UCSF

ZINC00631074

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 4.75 12 -51.01 0 7 -1 100 544.378 7
Mid Mid (pH 6-8) 5.19 -0.08 -33.61 1 7 0 96 545.386 6
Mid Mid (pH 6-8) 4.16 0.21 -24.97 0 7 0 93 545.386 7

Activity (Go SEA)

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