UCSF

ZINC43285941

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) 2.87 6.65 -96.9 4 3 2 35 362.381 5
Hi High (pH 8-9.5) 2.87 4.18 -1.97 2 3 0 32 360.365 5
Mid Mid (pH 6-8) 2.87 4.41 -42.2 3 3 1 34 361.373 5

Activity (Go SEA)

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