UCSF

ZINC02273906

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 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) 3.35 5.12 -17.64 2 6 0 76 306.391 4
Hi High (pH 8-9.5) 2.98 3.65 -48.99 1 6 -1 82 305.383 5

Activity (Go SEA)

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