UCSF

ZINC13531699

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 4.24 9.78 -80.32 5 3 2 58 267.461 13
Mid Mid (pH 6-8) 4.24 9.23 -47.23 4 3 1 56 266.453 13

Activity (Go SEA)

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