UCSF

ZINC36988758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 3.90 8.53 -31.72 2 3 1 29 294.781 4
Hi High (pH 8-9.5) 3.90 8.19 -7.43 1 3 0 28 293.773 4

Activity (Go SEA)

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