UCSF

ZINC39849500

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 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) 2.15 8.74 -62.73 0 9 -1 112 479.509 10
Mid Mid (pH 6-8) 2.15 11 -80.5 1 9 0 114 480.517 10
Lo Low (pH 4.5-6) 2.15 10.11 -57.31 2 9 1 111 481.525 10

Activity (Go SEA)

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