UCSF

ZINC34984797

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 Yes

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) 3.29 11.97 -82.25 3 9 2 81 493.656 8
Hi High (pH 8-9.5) 3.29 9.24 -12.85 1 9 0 78 491.64 8
Mid Mid (pH 6-8) 3.29 12.65 -146.92 4 9 3 82 494.664 8
Mid Mid (pH 6-8) 3.29 10.28 -79.42 3 9 2 81 493.656 8
Mid Mid (pH 6-8) 3.29 9.62 -28.68 2 9 1 79 492.648 8

Activity (Go SEA)

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