UCSF

ZINC08915317

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 28 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) 4.40 4.39 -12.93 3 5 0 78 433.213 4
Hi High (pH 8-9.5) 4.03 3.36 -19.76 3 5 0 86 433.213 4
Mid Mid (pH 6-8) 4.03 2.81 -39.21 4 5 1 84 434.221 4

Activity (Go SEA)

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