UCSF

ZINC59204566

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 15 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) 4.00 8.93 -2.48 0 1 0 3 203.329 3
Mid Mid (pH 6-8) 4.00 9.7 -15.6 1 1 0 4 204.337 3

Activity (Go SEA)

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