UCSF

ZINC38003372

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 4.02 9.02 -52.29 2 2 1 40 322.251 4
Hi High (pH 8-9.5) 4.02 7.81 -7.5 1 2 0 36 321.243 4

Activity (Go SEA)

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