UCSF

ZINC19733489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 17 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) 0.90 -1.03 -13.28 2 5 0 76 257.311 4
Hi High (pH 8-9.5) 0.90 -0.25 -46.21 1 5 -1 78 256.303 4

Activity (Go SEA)

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