UCSF

ZINC35422709

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) 1.29 5.82 -63.38 3 5 0 86 256.346 7
Hi High (pH 8-9.5) 1.29 4.48 -51.57 2 5 -1 81 255.338 7

Activity (Go SEA)

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