UCSF

ZINC32547743

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 23 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) 3.43 12.19 -31.42 1 3 1 17 317.497 5
Hi High (pH 8-9.5) 3.43 9.57 -2.75 0 3 0 16 316.489 5
Mid Mid (pH 6-8) 3.43 12.21 -112.53 2 3 2 18 318.505 5

Activity (Go SEA)

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