UCSF

ZINC07422972

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 19 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) 1.97 -1.76 -15.4 1 6 0 81 282.321 4
Hi High (pH 8-9.5) 1.97 -1.2 -54.29 0 6 -1 83 281.313 4

Activity (Go SEA)

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