UCSF

ZINC05154636

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 21 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) 3.58 7.84 -45.73 0 5 -1 65 283.355 3
Mid Mid (pH 6-8) 3.12 9.06 -12.06 1 5 0 62 284.363 3

Activity (Go SEA)

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