UCSF

ZINC06752887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 30 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) 2.10 1.67 -18.25 4 8 0 119 409.442 7
Mid Mid (pH 6-8) 2.10 2.44 -59.19 3 8 -1 122 408.434 7

Activity (Go SEA)

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