UCSF

ZINC36720862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 18 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) 1.04 2 -53.15 5 5 1 82 243.29 3
Mid Mid (pH 6-8) 1.04 2.45 -88.18 6 5 2 83 244.298 3

Activity (Go SEA)

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