UCSF

ZINC36787486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 13 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) 1.62 4.26 -29.76 2 2 1 16 185.335 3
Mid Mid (pH 6-8) 1.62 3.94 -37.09 2 2 1 20 185.335 3
Lo Low (pH 4.5-6) 1.62 5.6 -97.79 3 2 2 21 186.343 3

Activity (Go SEA)

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