UCSF

ZINC34011720

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 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) -4.71 -8.36 -463.05 4 15 -5 275 415.053 6
Mid Mid (pH 6-8) -4.71 -8.33 -480.29 4 15 -5 275 415.053 6
Mid Mid (pH 6-8) -4.71 -8.36 -448.16 4 15 -5 275 415.053 6
Mid Mid (pH 6-8) -4.71 -7.21 -625.87 3 15 -6 278 414.045 6
Lo Low (pH 4.5-6) -4.71 -10.62 -189.8 6 15 -3 269 417.069 6

Activity (Go SEA)

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