UCSF

ZINC08323771

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2006 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) 3.64 10.5 -42.64 2 5 1 59 377.512 8
Lo Low (pH 4.5-6) 3.64 10.73 -95.08 3 5 2 61 378.52 8

Activity (Go SEA)

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