UCSF

ZINC01777541

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 2.77 9.53 -9.76 1 7 0 77 353.357 4
Ref Reference (pH 7) 2.77 9.15 -18.03 0 7 0 74 353.357 4
Mid Mid (pH 6-8) 2.77 9.74 -38.31 2 7 1 79 354.365 4
Mid Mid (pH 6-8) 2.77 9.49 -49.86 1 7 1 76 354.365 4

Activity (Go SEA)

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