UCSF

ZINC13839340

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 38 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) 4.29 13.98 -15.04 2 9 0 100 515.545 8
Mid Mid (pH 6-8) 4.46 13.96 -40.63 1 9 -1 101 514.537 8

Activity (Go SEA)

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