UCSF

ZINC08845798

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 28 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) 3.42 4.45 -15.45 3 7 0 99 444.285 4
Hi High (pH 8-9.5) 3.23 3.95 -52.1 1 7 -1 98 443.277 4
Mid Mid (pH 6-8) 3.42 5.22 -53.3 2 7 -1 102 443.277 4

Activity (Go SEA)

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