UCSF

ZINC00845013

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 31 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) 3.25 7.57 -13.08 1 7 0 81 427.386 6
Lo Low (pH 4.5-6) 3.25 7.85 -42.46 2 7 1 83 428.394 6

Activity (Go SEA)

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