UCSF

ZINC36770604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 2.08 4.19 -49.27 2 5 1 63 313.443 5
Hi High (pH 8-9.5) 2.08 3.03 -8.67 1 5 0 59 312.435 5

Activity (Go SEA)

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