UCSF

ZINC36881736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 3.00 4.97 -42.19 0 5 -1 75 325.193 7
Lo Low (pH 4.5-6) 3.00 4.91 -11.75 1 5 0 72 326.201 7

Activity (Go SEA)

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