UCSF

ZINC34691876

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 1.75 5.95 -13.11 0 7 0 58 427.545 8
Mid Mid (pH 6-8) 1.75 8.23 -57.89 1 7 1 60 428.553 8
Lo Low (pH 4.5-6) 1.75 10.52 -111.94 2 7 2 61 429.561 8

Activity (Go SEA)

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