UCSF

ZINC37796903

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 12 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) -1.43 0.99 -86.46 4 5 0 97 172.184 4
Hi High (pH 8-9.5) -1.43 0.61 -61.52 3 5 -1 95 171.176 4
Lo Low (pH 4.5-6) -1.43 -1.95 -53.81 5 5 1 94 173.192 4

Activity (Go SEA)

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