UCSF

ZINC37820628

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.83 3.22 -43.95 3 5 1 60 298.451 5
Hi High (pH 8-9.5) 0.83 2.89 -8.47 2 5 0 59 297.443 5
Mid Mid (pH 6-8) 0.83 5.09 -95.93 4 5 2 62 299.459 5

Activity (Go SEA)

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