UCSF

ZINC34669446

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 27 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) 4.51 11.53 -39.13 1 3 1 21 358.509 5
Mid Mid (pH 6-8) 4.51 11.52 -43.33 1 3 1 21 358.509 5
Mid Mid (pH 6-8) 4.51 9.26 -6.08 0 3 0 19 357.501 5

Activity (Go SEA)

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