UCSF

ZINC37048013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.02 1.41 -53.14 3 8 -1 131 305.295 4
Mid Mid (pH 6-8) 1.02 1.44 -112.66 2 8 -2 133 304.287 4

Activity (Go SEA)

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