UCSF

ZINC46009357

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2010 31 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) 3.10 9.98 -56.23 1 8 -1 109 438.485 4
Mid Mid (pH 6-8) 3.10 9.24 -15.48 2 8 0 106 439.493 4

Activity (Go SEA)

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