UCSF

ZINC32523811

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 4.03 9.74 -100.63 4 4 2 51 344.499 8
Mid Mid (pH 6-8) 4.03 10.23 -66.04 3 4 1 53 343.491 8

Activity (Go SEA)

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