UCSF

ZINC12907820

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 32 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) 5.61 9.82 -47.27 1 7 -1 96 446.556 6
Mid Mid (pH 6-8) 5.16 11.22 -15.74 2 7 0 93 447.564 6

Activity (Go SEA)

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