UCSF

ZINC08837361

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 37 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) 2.78 7.47 -60.73 0 9 -1 101 509.579 10
Mid Mid (pH 6-8) 2.19 1.12 -54.1 1 9 1 95 511.595 10
Mid Mid (pH 6-8) 2.78 9.8 -75.89 1 9 0 102 510.587 10

Activity (Go SEA)

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