UCSF

ZINC19899725

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 2.22 4.91 -62.21 2 3 1 51 268.402 3
Hi High (pH 8-9.5) 2.22 3.58 -12.89 1 3 0 46 267.394 3

Activity (Go SEA)

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