UCSF

ZINC34983536

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 3.01 6.15 -6.14 1 2 0 17 266.797 1
Mid Mid (pH 6-8) 3.01 7.5 -49.14 2 2 1 22 267.805 1

Activity (Go SEA)

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