UCSF

ZINC09437203

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 3.43 7.88 -59.26 1 7 -1 103 452.87 7
Mid Mid (pH 6-8) 3.87 6.57 -19.23 2 7 0 100 453.878 6
Mid Mid (pH 6-8) 2.84 8.15 -14.45 1 7 0 97 453.878 7

Activity (Go SEA)

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