UCSF

ZINC13571313

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 34 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) 4.04 10.89 -66.7 0 8 -1 105 459.478 8
Mid Mid (pH 6-8) 4.49 11.08 -11.84 1 8 0 102 460.486 7

Activity (Go SEA)

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