UCSF

ZINC32745863

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 22 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) 3.00 4.69 -14.58 3 5 0 78 363.211 4
Mid Mid (pH 6-8) 3.00 5.65 -54.53 2 5 -1 81 362.203 4

Activity (Go SEA)

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