UCSF

ZINC02792372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 25 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) 1.65 5.71 -57.12 1 7 -1 88 364.357 4
Mid Mid (pH 6-8) 1.19 6.99 -26.67 2 7 0 85 365.365 4

Activity (Go SEA)

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