UCSF

ZINC05408774

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 27 No

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) 3.24 8.11 -57.89 0 5 -1 70 366.368 6
Mid Mid (pH 6-8) 3.69 1.93 -17.33 1 5 0 66 367.376 5
Mid Mid (pH 6-8) 2.66 1.94 -21.72 0 5 0 63 367.376 6

Activity (Go SEA)

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