UCSF

ZINC45696010

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 1.18 2.12 -49.73 3 5 1 65 268.333 7
Hi High (pH 8-9.5) 1.18 0.86 -7.71 2 5 0 60 267.325 7

Activity (Go SEA)

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