UCSF

ZINC08739411

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 19 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) 2.44 6.22 -19.48 2 4 0 58 255.252 2
Lo Low (pH 4.5-6) 2.44 6.71 -46.81 3 4 1 59 256.26 2

Activity (Go SEA)

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