UCSF

ZINC49073481

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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 3.38 -12.95 2 6 0 97 278.26 3
Hi High (pH 8-9.5) 1.97 4.36 -53.81 1 6 -1 100 277.252 3
Hi High (pH 8-9.5) 1.97 4.15 -40.65 1 6 -1 100 277.252 3

Activity (Go SEA)

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