UCSF

ZINC32833838

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.76 4.74 -53.12 1 7 -1 119 331.329 6
Mid Mid (pH 6-8) 1.76 4.8 -85.21 0 7 -2 121 330.321 6

Activity (Go SEA)

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