UCSF

ZINC36751634

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 21 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) 3.43 4.37 -46.41 2 4 -1 74 372.239 3
Mid Mid (pH 6-8) 3.43 3.9 -9.85 3 4 0 72 373.247 3

Activity (Go SEA)

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