UCSF

ZINC34691712

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 27 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) 1.26 3.83 -13.3 1 7 0 71 376.453 7
Mid Mid (pH 6-8) 1.26 6.13 -46.16 2 7 1 73 377.461 7

Activity (Go SEA)

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