UCSF

ZINC06270327

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 28 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) 3.99 -3.91 -19.5 2 6 0 84 396.468 7
Hi High (pH 8-9.5) 3.99 -3.33 -55.04 1 6 -1 86 395.46 7

Activity (Go SEA)

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