UCSF

ZINC32902711

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 25 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) 1.63 2.54 -17.43 1 7 0 91 381.479 4
Mid Mid (pH 6-8) 2.08 1.45 -41.26 0 7 -1 94 380.471 4

Activity (Go SEA)

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