UCSF

ZINC10336420

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2007 27 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) 3.88 -0.85 -13 1 5 0 56 388.464 8
Mid Mid (pH 6-8) 3.88 -0.6 -35.53 2 5 1 57 389.472 8

Activity (Go SEA)

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