UCSF

ZINC37236641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.92 5.25 -36.08 3 2 1 37 268.427 7
Hi High (pH 8-9.5) 2.92 4.14 -4.53 2 2 0 32 267.419 7

Activity (Go SEA)

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