UCSF

ZINC22999705

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 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) 1.76 3.82 -43.63 2 4 1 51 275.419 4
Hi High (pH 8-9.5) 1.76 3.4 -52.56 1 4 0 53 274.411 4

Activity (Go SEA)

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