UCSF

ZINC43284594

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 20 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) 3.07 6.85 -98.97 4 3 2 35 362.381 6
Hi High (pH 8-9.5) 3.07 4.34 -1.34 2 3 0 32 360.365 6
Mid Mid (pH 6-8) 3.07 4.65 -42.48 3 3 1 34 361.373 6

Activity (Go SEA)

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