UCSF

ZINC37856613

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.86 3.81 -7.11 2 3 0 45 260.312 5
Mid Mid (pH 6-8) 1.86 5 -42.12 3 3 1 50 261.32 5
Lo Low (pH 4.5-6) 1.86 5.27 -113.47 4 3 2 51 262.328 5

Activity (Go SEA)

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