UCSF

ZINC06388928

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 26 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) 5.75 8.81 -49.61 0 4 -1 58 365.478 7
Mid Mid (pH 6-8) 5.29 9.68 -15.07 1 4 0 55 366.486 7

Activity (Go SEA)

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