UCSF

ZINC34678600

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 3.12 11.23 -49.43 1 5 1 43 460.392 4
Mid Mid (pH 6-8) 3.12 9 -13.64 0 5 0 42 459.384 4

Activity (Go SEA)

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