UCSF

ZINC58703594

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2011 25 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) 4.19 11.18 -42.54 2 3 1 34 337.487 4
Mid Mid (pH 6-8) 4.19 9.09 -8.74 1 3 0 32 336.479 4

Activity (Go SEA)

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