UCSF

ZINC09359664

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 36 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) 4.21 11.36 -77.8 1 8 0 93 496.604 13
Mid Mid (pH 6-8) 3.63 2.75 -47.74 1 8 1 86 497.612 13
Mid Mid (pH 6-8) 4.66 11.03 -49.96 2 8 1 90 497.612 12

Activity (Go SEA)

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