UCSF

ZINC45069545

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 16 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) 0.90 5.38 -42.66 2 4 1 43 223.296 5
Hi High (pH 8-9.5) 0.90 2.91 -11.86 1 4 0 42 222.288 5

Activity (Go SEA)

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