UCSF

ZINC00087771

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 3.76 6.35 -39.37 1 3 -1 56 305.14 1
Mid Mid (pH 6-8) 5.06 -3.15 -8.28 2 3 0 53 306.148 1

Activity (Go SEA)

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