UCSF

ZINC36170549

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.37 4.42 -30.32 3 4 1 43 264.393 4
Mid Mid (pH 6-8) 1.37 4.47 -30.34 3 4 1 43 264.393 4
Mid Mid (pH 6-8) 1.37 2.2 -4.28 2 4 0 42 263.385 4

Activity (Go SEA)

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