UCSF

ZINC32786994

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 30 No

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) 3.52 10.67 -53.36 1 9 -1 129 420.43 5
Mid Mid (pH 6-8) 3.59 9.77 -98.54 0 9 -2 135 419.422 5
Lo Low (pH 4.5-6) 3.52 9.64 -25.02 2 9 0 126 421.438 5

Activity (Go SEA)

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