UCSF

ZINC45696498

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 18 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) 1.14 3.51 -57.45 3 5 1 72 268.362 6
Mid Mid (pH 6-8) 1.14 1.59 -23.81 2 5 0 67 267.354 6

Activity (Go SEA)

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