UCSF

ZINC09362752

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 30 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) 4.20 10.4 -56.07 0 5 -1 70 420.872 6
Mid Mid (pH 6-8) 4.65 9.34 -29.33 1 5 0 67 421.88 5
Mid Mid (pH 6-8) 3.62 -0.23 -15.25 0 5 0 63 421.88 6

Activity (Go SEA)

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