UCSF

ZINC44887018

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 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) -0.57 -2.52 -42.69 3 8 -1 125 267.294 4
Lo Low (pH 4.5-6) -0.57 -2.28 -15.65 4 8 0 127 268.302 4

Activity (Go SEA)

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