UCSF

ZINC13639159

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 27 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) 1.90 3.73 -16.25 2 7 0 98 422.509 5
Mid Mid (pH 6-8) 1.90 4.62 -61.2 1 7 -1 100 421.501 5

Activity (Go SEA)

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