UCSF

ZINC43388614

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 3.00 7.97 -104.04 3 3 2 24 315.864 5
Mid Mid (pH 6-8) 3.00 7.53 -127.85 3 3 2 24 315.864 5
Mid Mid (pH 6-8) 3.00 6.22 -33.38 2 3 1 20 314.856 5

Activity (Go SEA)

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