UCSF

ZINC52308380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.20 2.83 -6.81 2 4 0 57 220.301 2
Mid Mid (pH 6-8) 1.20 3.29 -35.99 3 4 1 58 221.309 2

Activity (Go SEA)

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