UCSF

ZINC32576313

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.35 5.82 -34.68 2 6 1 63 312.397 4
Mid Mid (pH 6-8) 1.35 5.54 -15.97 1 6 0 61 311.389 4
Lo Low (pH 4.5-6) 1.35 6.24 -82.81 3 6 2 64 313.405 4

Activity (Go SEA)

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