UCSF

ZINC01454986

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 25 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) 3.66 -1.67 -15.55 1 4 0 63 357.475 4
Hi High (pH 8-9.5) 3.66 -1.1 -55.97 0 4 -1 65 356.467 4

Activity (Go SEA)

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