UCSF

ZINC13718686

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 1.71 7.58 -79.32 1 8 0 96 400.431 8
Hi High (pH 8-9.5) 1.71 5.04 -63.7 0 8 -1 95 399.423 8
Mid Mid (pH 6-8) 1.12 7.42 -64.89 1 8 1 90 401.439 8
Mid Mid (pH 6-8) 2.15 6.21 -61.26 2 8 1 94 401.439 7

Activity (Go SEA)

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