UCSF

ZINC37796648

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.34 4.21 -59.18 2 5 -1 89 268.333 3
Mid Mid (pH 6-8) 1.34 2.23 -11.82 3 5 0 87 269.341 3

Activity (Go SEA)

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