UCSF

ZINC37302151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.16 5.77 -43.39 4 4 1 60 304.439 6
Mid Mid (pH 6-8) 2.16 3.49 -11.42 3 4 0 58 303.431 6

Activity (Go SEA)

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