UCSF

ZINC36992627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.76 7.56 -5.12 1 1 0 12 267.344 5
Lo Low (pH 4.5-6) 3.76 8.75 -30.71 2 1 1 17 268.352 5

Activity (Go SEA)

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