UCSF

ZINC33813317

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 38 No

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) 2.70 10.12 -65.69 2 10 0 125 527.618 13
Hi High (pH 8-9.5) 2.70 9.35 -61.63 1 10 -1 124 526.61 13
Lo Low (pH 4.5-6) 2.70 10.39 -66.44 3 10 1 123 528.626 13

Activity (Go SEA)

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