UCSF

ZINC09016055

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 30 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) 1.70 11.15 -19.25 1 8 0 91 403.442 4
Hi High (pH 8-9.5) 1.87 11.07 -42.08 0 8 -1 93 402.434 4
Lo Low (pH 4.5-6) 1.65 -2.18 -48.81 1 8 1 92 404.45 4

Activity (Go SEA)

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