UCSF

ZINC32814684

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) 2.19 6.51 -18.09 0 5 0 63 312.417 7
Mid Mid (pH 6-8) 2.19 8.69 -59.88 1 5 1 64 313.425 7

Activity (Go SEA)

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