UCSF

ZINC37081402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.95 4.3 -10.82 1 3 0 41 205.257 2
Hi High (pH 8-9.5) 1.95 5.18 -53.98 0 3 -1 43 204.249 2

Activity (Go SEA)

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