UCSF

ZINC36768892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.99 3.55 -51.21 3 4 1 53 222.312 3
Hi High (pH 8-9.5) 0.99 3.16 -5.33 2 4 0 51 221.304 3
Hi High (pH 8-9.5) 0.99 3.48 -29.23 3 4 1 53 222.312 3

Activity (Go SEA)

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