UCSF

ZINC32912911

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 36 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) 3.40 11.24 -48.48 2 7 1 66 485.608 8
Mid Mid (pH 6-8) 3.40 11.17 -49.6 2 7 1 66 485.608 8
Mid Mid (pH 6-8) 3.40 8.86 -15.75 1 7 0 65 484.6 8

Activity (Go SEA)

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