UCSF

ZINC22991665

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 23 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) 2.70 5.8 -15.34 1 5 0 61 381.27 2
Hi High (pH 8-9.5) 2.70 6.61 -58.9 0 5 -1 64 380.262 2

Activity (Go SEA)

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