UCSF

ZINC34448986

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) -2.78 2.17 -39.48 4 5 0 96 169.184 3
Hi High (pH 8-9.5) -2.78 2.02 -42.91 3 5 -1 95 168.176 3
Lo Low (pH 4.5-6) -2.78 2.63 -75.57 5 5 1 98 170.192 3

Activity (Go SEA)

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