UCSF

ZINC37787205

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.01 2.47 -18.82 2 8 0 98 292.295 7
Lo Low (pH 4.5-6) 0.01 2.94 -59.11 3 8 1 103 293.303 7

Activity (Go SEA)

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