UCSF

ZINC35385980

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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) 0.51 0.62 -53.36 2 7 0 109 316.111 6
Hi High (pH 8-9.5) 0.51 -0.73 -45.05 1 7 -1 104 315.103 6

Activity (Go SEA)

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