UCSF

ZINC28233494

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 32 Yes

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) 3.53 7.67 -42.51 3 8 1 101 445.536 15
Mid Mid (pH 6-8) 3.53 5.42 -15.87 2 8 0 100 444.528 15
Lo Low (pH 4.5-6) 3.53 9.86 -113.57 4 8 2 102 446.544 15

Activity (Go SEA)

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