UCSF

ZINC16400035

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 29 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) 4.85 9.16 -18.99 2 5 0 75 421.547 7
Mid Mid (pH 6-8) 5.31 7.92 -48.42 1 5 -1 78 420.539 7

Activity (Go SEA)

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