UCSF

ZINC09358346

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 32 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) 2.30 9.46 -56.94 0 8 -1 103 437.472 8
Mid Mid (pH 6-8) 1.71 9.2 -15.01 0 8 0 97 438.48 8
Mid Mid (pH 6-8) 2.30 8.63 -17.03 1 8 0 100 438.48 8

Activity (Go SEA)

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