UCSF

ZINC11718713

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2008 32 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) 5.01 -0.13 -17.69 1 6 0 65 429.52 10
Mid Mid (pH 6-8) 5.01 0.08 -41.25 2 6 1 66 430.528 10

Activity (Go SEA)

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