UCSF

ZINC13684442

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 2.59 8.16 -71.95 1 7 0 83 428.46 8
Hi High (pH 8-9.5) 2.59 5.61 -58.14 0 7 -1 82 427.452 8
Mid Mid (pH 6-8) 3.04 7.02 -58.25 2 7 1 81 429.468 7
Mid Mid (pH 6-8) 2.01 8.03 -61.66 1 7 1 77 429.468 8

Activity (Go SEA)

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