UCSF

ZINC09359444

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 36 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) 3.05 9.55 -57.53 0 9 -1 118 509.491 6
Mid Mid (pH 6-8) 3.49 9.86 -27.7 1 9 0 115 510.499 5

Activity (Go SEA)

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