UCSF

ZINC70635717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.84 6.91 -26.27 3 2 1 30 209.357 4
Mid Mid (pH 6-8) 1.84 7.03 -109.45 4 2 2 32 210.365 4

Activity (Go SEA)

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