UCSF

ZINC34678112

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.33 6.22 -46.15 2 7 1 72 427.569 8
Mid Mid (pH 6-8) 3.33 6.24 -46.42 2 7 1 72 427.569 8
Mid Mid (pH 6-8) 3.33 3.97 -8.93 1 7 0 71 426.561 8

Activity (Go SEA)

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