UCSF

ZINC37051850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.03 4.53 -43.48 2 5 1 53 268.381 8
Hi High (pH 8-9.5) 0.03 3.14 -8.61 1 5 0 48 267.373 8

Activity (Go SEA)

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