UCSF

ZINC20523340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 25 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) 1.63 7.91 -16.71 1 5 0 41 356.495 8
Mid Mid (pH 6-8) 1.63 10.25 -49.33 2 5 1 42 357.503 8
Lo Low (pH 4.5-6) 1.63 10.69 -113.81 3 5 2 43 358.511 8

Activity (Go SEA)

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