UCSF

ZINC49089252

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 24 No

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) -1.15 -0.99 -145.04 3 12 -2 178 359.235 5
Mid Mid (pH 6-8) -1.15 -2.14 -53.15 4 12 -1 175 360.243 5

Activity (Go SEA)

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