UCSF

ZINC19677257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 0.23 4.04 -55.45 3 5 1 68 268.381 4
Hi High (pH 8-9.5) 0.23 3.76 -12.31 2 5 0 67 267.373 4

Activity (Go SEA)

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