UCSF

ZINC08616653

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 15 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) -0.71 2.96 -58.23 1 5 -1 82 205.193 4
Lo Low (pH 4.5-6) -0.71 3.24 -80.18 2 5 0 83 206.201 4

Activity (Go SEA)

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