UCSF

ZINC32902708

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 20 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) 1.53 3.21 -13 1 5 0 70 310.4 2
Mid Mid (pH 6-8) 1.99 2.12 -39.8 0 5 -1 73 309.392 2

Activity (Go SEA)

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