UCSF

ZINC33916275

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 31 No

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Annotations

None

Vendors

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) 2.26 12.17 -51.97 1 5 1 51 421.561 4
Mid Mid (pH 6-8) 2.26 12.24 -49.58 1 5 1 51 421.561 4
Mid Mid (pH 6-8) 2.26 9.98 -15.33 0 5 0 50 420.553 4

Activity (Go SEA)

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