UCSF

ZINC37138703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 4.51 10.2 -94 3 2 2 21 256.478 8
Hi High (pH 8-9.5) 4.51 9.3 -32.46 2 2 1 16 255.47 8

Activity (Go SEA)

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