UCSF

ZINC23792290

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2009 31 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) 3.90 12.49 -18.01 1 6 0 64 407.477 5
Mid Mid (pH 6-8) 3.90 12.94 -42.01 2 6 1 65 408.485 5

Activity (Go SEA)

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