UCSF

ZINC09380544

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 4.14 12.95 -57.22 0 7 -1 106 427.436 7
Mid Mid (pH 6-8) 4.59 11.89 -31.45 1 7 0 103 428.444 6
Mid Mid (pH 6-8) 3.56 1.16 -27.22 0 7 0 100 428.444 7

Activity (Go SEA)

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